Project name: Mutant_aggregation

Status: done

submitted: 2018-12-19 00:46:29, status changed: 2018-12-19 01:38:05
Settings
Chain sequence(s) A: PSLEDLLFYTIAEGQEKIPVHKFITALKSTGLRTSDPRLKECMDMLRLTLQTTSDGVMLDKDLFKKCVQSNIVLLTQAFRRKFVIPDFMSFTSHIDELYESAKKQSGGKVADYIPQLAKFSPDLWGVSVCTVDGQRHSTGDTKVPFCLQSCVKPLKYAIAVNDLGTEYVHRYVGKEPSGLRFNKLFLNEDDKPHNPMVNAGAIVVTSLIKQGVNNAEKFDYVMQFLNKMAGNEYVGFSNATFQSERESGDRNFAIGYYLKEKKCFPEGTDMVGILDFYFQLCSIEVTCESASVMAATLANGGFCPITGERVLSPEAVRNTLSLMHSCGMYDFSGQFAFHVGLPAKSGVAGGILLVVPNVMGMMCWSPPLDKMGNSVKGIHFCHDLVSLCNFHNYDNLRHFAKKLDPRREGE
C: LPSLEDLLFYTIAEGQEKIPVHKFITALKSTGLRTSDPRLKECMDMLRLTLQVMLDKDLFKKCVQSNIVLLTQAFRRKFVIPDFMSFTSHIDELYESAKKQSGGKVADYIPQLAKFSPDLWGVSVCTVDGQRHSTGDTKVPFCLQSCVKPLKYAIAVNDLGTEYVHRYVGKEPSFNKLFLNEDDKPHNPMVNAGAIVVTSLIKQGVNNAEKFDYVMQFLNKMAGNEYVGFSNATFQSERESGDRNFAIGYYLKEKKCFPEGTDMVGILDFYFQLCSIEVTCESASVMAATLANGGFCPITGERVLSPEAVRNTLSLMHSCGMYDFSGQFAFHVGLPAKSGVAGGILLVVPNVMGMMCWSPPLDKMGNSVKGIHFCHDLVSLCNFHNYDNLRHFAKKLDPRREGE
B: PSLEDLLFYTIAEGQEKIPVHKFITALKSTGLRTSDPRLKECMDMLRLTLQVMLDKDLFKKCVQSNIVLLTQAFRRKFVIPDFMSFTSHIDELYESAKKQSGGKVADYIPQLAKFSPDLWGVSVCTVDGQRHSTGDTKVPFCLQSCVKPLKYAIAVNDLGTEYVHRYVGKEPSKLFLNEDDKPHNPMVNAGAIVVTSLIKQGVNNAEKFDYVMQFLNKMAGNEYVGFSNATFQSERESGDRNFAIGYYLKEKKCFPEGTDMVGILDFYFQLCSIEVTCESASVMAATLANGGFCPITGERVLSPEAVRNTLSLMHSCGMYDFSGQFAFHVGLPAKSGVAGGILLVVPNVMGMMCWSPPLDKMGNSVKGIHFCHDLVSLCNFHNYDNLRHFAKKLDPRREGE
D: LEDLLFYTIAEGQEKIPVHKFITALKSTGLRTSDPRLKECMDMLRLTLQTTSDGVMLDKDLFKKCVQSNIVLLTQAFRRKFVIPDFMSFTSHIDELYESAKKQSGGKVADYIPQLAKFSPDLWGVSVCTVDGQRHSTGDTKVPFCLQSCVKPLKYAIAVNDLGTEYVHRYVGKEPSGLRFNKLFLNEDDKPHNPMVNAGAIVVTSLIKQGVNNAEKFDYVMQFLNKMAGNEYVGFSNATFQSERESGDRNFAIGYYLKEKKCFPEGTDMVGILDFYFQLCSIEVTCESASVMAATLANGGFCPITGERVLSPEAVRNTLSLMHSCGMYDFSGQFAFHVGLPAKSGVAGGILLVVPNVMGMMCWSPPLDKMGNSVKGIHFCHDLVSLCNFHNYDNLRHFAKKLDPRREE
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues SA482T
Energy difference between WT (input) and mutated protein (by FoldX) 0.182 kcal/mol

Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

Show buried residues

Minimal score value
-2.4106
Maximal score value
1.906
Average score
-0.2939
Total score value
-477.2408

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
137 P A -0.2673
138 S A 0.0103
139 L A 0.7833
140 E A -0.0724
141 D A -0.1656
142 L A 0.7052
143 L A 0.0000
144 F A 0.0000
145 Y A 0.9122
146 T A 0.1084
147 I A 0.0000
148 A A 0.0000
149 E A -1.9051
150 G A -0.9730
151 Q A -1.3524
152 E A -2.0863
153 K A -1.0162
154 I A 0.0000
155 P A 0.0071
156 V A 0.0000
157 H A -1.1231
158 K A -1.1110
159 F A 0.0000
160 I A 0.2557
161 T A 0.0002
162 A A 0.0014
163 L A 0.0000
164 K A -1.1372
165 S A -0.3278
166 T A 0.0000
167 G A 0.0000
168 L A 0.0000
169 R A -1.0066
170 T A -0.2473
171 S A -0.2171
172 D A 0.0000
173 P A -0.1156
174 R A -0.3259
175 L A 0.0000
176 K A -2.0044
177 E A -2.0196
178 C A 0.0000
179 M A 0.0000
180 D A -1.7434
181 M A 0.0552
182 L A 0.0000
183 R A -1.5918
184 L A 1.0501
185 T A 0.0000
186 L A 0.5135
187 Q A -1.0786
188 T A -0.2917
189 T A -0.0739
190 S A -0.5379
191 D A -1.9109
192 G A -0.4576
193 V A 1.0815
194 M A 0.4517
195 L A 0.0000
196 D A -1.7357
197 K A -1.3666
198 D A -1.9442
199 L A -0.2951
200 F A 0.0000
201 K A -0.9807
202 K A -1.7630
203 C A 0.0000
204 V A 0.0000
205 Q A -1.2371
206 S A -0.4557
207 N A -0.1733
208 I A 0.0000
209 V A 1.8067
210 L A 0.5097
211 L A 0.0000
212 T A -0.0852
213 Q A -0.6048
214 A A 0.0000
215 F A 0.0000
216 R A -0.9394
217 R A -1.7895
218 K A -2.0023
219 F A 0.0000
220 V A 0.2229
221 I A 0.0000
222 P A -0.3955
223 D A -1.2031
224 F A 0.0000
225 M A 0.5996
226 S A -0.0069
227 F A 0.0000
228 T A 0.0000
229 S A -0.2284
230 H A -0.3394
231 I A 0.0000
232 D A -0.9438
233 E A -1.9310
234 L A 0.0000
235 Y A 0.0000
236 E A -1.8150
237 S A -0.3807
238 A A 0.0000
239 K A -1.7404
240 K A -2.0320
241 Q A -0.9100
242 S A -0.3989
243 G A -0.5899
244 G A -0.9323
245 K A -1.7490
246 V A -0.0933
247 A A -0.2549
248 D A -1.6658
249 Y A 0.3661
250 I A 0.0000
251 P A -0.2867
252 Q A -0.2329
253 L A 0.0000
254 A A -0.6846
255 K A -1.6459
256 F A -0.0478
257 S A -0.1085
258 P A -0.5606
259 D A -1.7837
260 L A -0.0858
261 W A 0.0000
262 G A 0.0000
263 V A 0.0000
264 S A 0.0000
265 V A 0.0000
266 C A 0.0000
267 T A 0.0000
268 V A 0.0000
269 D A 0.0000
270 G A 0.0000
271 Q A 0.0000
272 R A -0.2244
273 H A -0.1998
274 S A -0.0839
275 T A -0.0810
276 G A -0.4259
277 D A -0.6308
278 T A 0.0000
279 K A -1.6002
280 V A 0.2083
281 P A -0.0039
282 F A 0.0000
283 C A 0.0000
284 L A 0.0000
285 Q A 0.0000
286 S A 0.0000
287 C A 0.0000
288 V A 0.0000
289 K A 0.0000
290 P A 0.0000
291 L A 0.0000
292 K A 0.0000
293 Y A 0.0000
294 A A 0.0000
295 I A 0.0000
296 A A 0.0000
297 V A 0.0000
298 N A -0.6133
299 D A -1.0713
300 L A 0.3283
301 G A 0.0355
302 T A -0.3621
303 E A -1.7561
304 Y A 0.0084
305 V A 0.0000
306 H A 0.0000
307 R A -1.8056
308 Y A -0.1333
309 V A 0.0000
310 G A -0.0935
311 K A -0.3260
312 E A -0.5281
313 P A -0.1910
314 S A -0.0715
315 G A 0.0482
316 L A 0.6564
317 R A -0.8605
318 F A 0.0795
319 N A -0.7622
320 K A -1.7724
321 L A 0.0161
322 F A 0.2849
323 L A 0.0000
324 N A -0.6198
325 E A -2.1947
326 D A -2.3472
327 D A -1.6756
328 K A -0.6557
329 P A 0.0000
330 H A 0.0000
331 N A 0.0000
332 P A 0.0000
333 M A 0.0000
334 V A 0.4344
335 N A -0.1077
336 A A 0.0000
337 G A 0.0000
338 A A 0.0000
339 I A 0.0000
340 V A 0.0000
341 V A 0.0000
342 T A 0.0000
343 S A 0.0000
344 L A 0.0000
345 I A 0.0000
346 K A -1.2439
347 Q A -1.0562
348 G A -0.5074
349 V A 0.2370
350 N A -1.2297
351 N A -0.5573
352 A A -0.3036
353 E A -1.6204
354 K A 0.0000
355 F A -0.1144
356 D A -1.6987
357 Y A -0.1309
358 V A 0.0000
359 M A -0.2768
360 Q A -1.2126
361 F A 0.0000
362 L A 0.0000
363 N A -0.7800
364 K A -0.8693
365 M A 0.0000
366 A A 0.0000
367 G A 0.0000
368 N A -1.4021
369 E A -0.5689
370 Y A 0.7052
371 V A 0.3388
372 G A 0.0695
373 F A 0.6021
374 S A -0.1477
375 N A -1.2431
376 A A -0.1823
377 T A 0.0000
378 F A -0.0504
379 Q A -0.7843
380 S A -0.1746
381 E A 0.0000
382 R A -1.4758
383 E A -2.0662
384 S A -0.5500
385 G A 0.0000
386 D A -0.3701
387 R A -1.0315
388 N A 0.0000
389 F A 0.3118
390 A A 0.0000
391 I A 0.0000
392 G A 0.0000
393 Y A 0.1932
394 Y A 0.1360
395 L A 0.0000
396 K A -0.8539
397 E A -0.7739
398 K A -1.1064
399 K A -1.8273
400 C A 0.0000
401 F A 0.2200
402 P A -0.3152
403 E A -1.9095
404 G A -0.8018
405 T A -0.4403
406 D A -1.7930
407 M A 0.0000
408 V A 0.9432
409 G A 0.0909
410 I A 0.0000
411 L A 0.0000
412 D A -0.2889
413 F A 0.0000
414 Y A 0.0000
415 F A 0.0000
416 Q A -0.1752
417 L A 0.0000
418 C A 0.0000
419 S A 0.0000
420 I A 0.0000
421 E A -0.3221
422 V A 0.0000
423 T A 0.0000
424 C A 0.0000
425 E A -0.2500
426 S A 0.0000
427 A A 0.0000
428 S A 0.0000
429 V A 0.0000
430 M A 0.0000
431 A A 0.0000
432 A A 0.0000
433 T A 0.0000
434 L A 0.0000
435 A A 0.0000
436 N A 0.0000
437 G A 0.0000
438 G A 0.0000
439 F A 0.0718
440 C A 0.0000
441 P A 0.0000
442 I A 0.0000
443 T A -0.1108
444 G A -0.7535
445 E A -1.9667
446 R A -2.0720
447 V A 0.0000
448 L A 0.0000
449 S A -0.0695
450 P A -0.1980
451 E A -0.6880
452 A A 0.0000
453 V A 0.0000
454 R A -0.2962
455 N A 0.0000
456 T A 0.0000
457 L A 0.0000
458 S A 0.0000
459 L A 0.0000
460 M A 0.0000
461 H A 0.0000
462 S A -0.0334
463 C A 0.0650
464 G A 0.0000
465 M A 0.0000
466 Y A 0.1567
467 D A -1.6490
468 F A -0.0379
469 S A 0.0000
470 G A -0.1537
471 Q A -0.2357
472 F A 0.0000
473 A A 0.0080
474 F A 0.0000
475 H A -0.2502
476 V A 0.0000
477 G A 0.0000
478 L A 0.0000
479 P A 0.0000
480 A A 0.0000
481 K A 0.0000
482 T A 0.0000 mutated: SA482T
483 G A 0.0000
484 V A 0.2051
485 A A 0.0000
486 G A 0.0000
487 G A 0.0000
488 I A 0.0000
489 L A 0.0000
490 L A 0.0000
491 V A 0.0000
492 V A 0.0000
493 P A -0.1268
494 N A -0.4804
495 V A 0.0000
496 M A 0.0000
497 G A 0.0000
498 M A 0.0000
499 M A 0.0000
500 C A 0.0000
501 W A 0.0000
502 S A 0.0000
503 P A 0.0000
504 P A 0.0000
505 L A 0.0000
506 D A -0.9195
507 K A -1.7567
508 M A -0.0863
509 G A -0.0361
510 N A 0.0000
511 S A 0.0000
512 V A 0.2312
513 K A 0.0000
514 G A 0.0000
515 I A 0.1749
516 H A -0.1987
517 F A 0.0000
518 C A 0.0000
519 H A -0.4101
520 D A -0.5614
521 L A 0.0000
522 V A 0.0000
523 S A -0.2048
524 L A 0.2650
525 C A 0.0000
526 N A 0.0000
527 F A 0.0000
528 H A 0.0000
529 N A -0.2281
530 Y A 0.0000
531 D A -0.2227
532 N A 0.0000
533 L A 0.6489
534 R A -1.1874
535 H A -0.3677
536 F A 0.3531
537 A A -0.1914
538 K A -1.7427
539 K A -0.3662
540 L A 1.2223
541 D A 0.0000
542 P A 0.0000
543 R A -0.7905
544 R A -1.4247
545 E A -2.0848
546 G A -0.7996
600 E A -0.2985
137 P B -0.2651
138 S B 0.0207
139 L B 0.6621
140 E B 0.0000
141 D B -0.1099
142 L B 0.5134
143 L B 0.0000
144 F B 0.0000
145 Y B 1.2713
146 T B 0.1688
147 I B 0.0000
148 A B 0.0000
149 E B -1.9051
150 G B -1.0177
151 Q B -1.6287
152 E B -2.2489
153 K B -1.5853
154 I B 0.0000
155 P B 0.1151
156 V B 0.0005
157 H B -1.1190
158 K B -1.0719
159 F B 0.0000
160 I B 0.3223
161 T B -0.0069
162 A B 0.0024
163 L B 0.0000
164 K B -1.4568
165 S B -0.4023
166 T B -0.0325
167 G B 0.0000
168 L B 0.0000
169 R B -1.2022
170 T B -0.2958
171 S B -0.2183
172 D B 0.0000
173 P B -0.1099
174 R B -0.3281
175 L B 0.0000
176 K B -1.9587
177 E B -1.7391
178 C B 0.0000
179 M B 0.0000
180 D B -1.7402
181 M B -0.0643
182 L B 0.0000
183 R B -1.5455
184 L B 1.2137
185 T B 0.3895
186 L B 0.4870
187 Q B -1.0700
193 V B 1.9060
194 M B 1.0461
195 L B 0.0000
196 D B -1.6283
197 K B -1.3429
198 D B -1.8619
199 L B 0.0456
200 F B 0.0000
201 K B -0.5866
202 K B -1.7504
203 C B 0.0000
204 V B 0.0000
205 Q B -1.2366
206 S B -0.4532
207 N B -0.1747
208 I B 0.0000
209 V B 1.8061
210 L B 0.5042
211 L B 0.0000
212 T B -0.1087
213 Q B -0.7231
214 A B 0.0000
215 F B 0.1203
216 R B -1.5674
217 R B -2.3924
218 K B -2.0952
219 F B 0.0000
220 V B 0.0000
221 I B 0.0000
222 P B -0.4200
223 D B -1.0354
224 F B 0.0000
225 M B 0.6067
226 S B -0.0027
227 F B 0.0000
228 T B 0.0000
229 S B -0.2343
230 H B -0.3486
231 I B 0.0000
232 D B -0.8738
233 E B -1.9190
234 L B 0.0000
235 Y B 0.0000
236 E B -1.9442
237 S B -0.4089
238 A B 0.0000
239 K B -1.5613
240 K B -1.9751
241 Q B -0.7885
242 S B -0.3573
243 G B -0.4948
244 G B -0.8893
245 K B -1.7364
246 V B -0.0364
247 A B -0.2810
248 D B -1.6433
249 Y B 0.4273
250 I B 0.0000
251 P B -0.2748
252 Q B -0.2380
253 L B 0.0000
254 A B -0.5161
255 K B -1.6134
256 F B 0.1153
257 S B -0.0479
258 P B -0.5658
259 D B -1.7881
260 L B -0.1071
261 W B 0.0000
262 G B 0.0000
263 V B 0.0000
264 S B 0.0000
265 V B 0.0000
266 C B 0.0000
267 T B 0.0000
268 V B 0.0000
269 D B 0.0000
270 G B 0.0000
271 Q B 0.0000
272 R B -0.2457
273 H B -0.1891
274 S B -0.0978
275 T B -0.1050
276 G B -0.5170
277 D B -0.5810
278 T B 0.0000
279 K B -1.6036
280 V B 0.1853
281 P B -0.0039
282 F B 0.0000
283 C B 0.0000
284 L B 0.0000
285 Q B 0.0000
286 S B 0.0000
287 C B 0.0000
288 V B 0.0000
289 K B 0.0000
290 P B 0.0000
291 L B 0.0000
292 K B 0.0000
293 Y B 0.0000
294 A B 0.0000
295 I B 0.0000
296 A B 0.0000
297 V B 0.0000
298 N B -0.5625
299 D B -0.9601
300 L B 0.4146
301 G B 0.0196
302 T B 0.0000
303 E B -1.7516
304 Y B 0.0395
305 V B 0.0000
306 H B 0.0000
307 R B -1.8192
308 Y B -0.1920
309 V B 0.0000
310 G B -0.1170
311 K B -0.3538
312 E B -0.4818
313 P B -0.1920
314 S B -0.2270
320 K B -1.6021
321 L B 0.2933
322 F B 0.3138
323 L B 0.0000
324 N B -0.6219
325 E B -2.1925
326 D B -2.2696
327 D B -1.2523
328 K B -0.5251
329 P B 0.0000
330 H B -0.1070
331 N B 0.0000
332 P B 0.0000
333 M B 0.0000
334 V B 0.4414
335 N B -0.0726
336 A B 0.0000
337 G B 0.0000
338 A B 0.0000
339 I B 0.0000
340 V B 0.0000
341 V B 0.0000
342 T B 0.0000
343 S B 0.0000
344 L B 0.0000
345 I B 0.0000
346 K B -1.3201
347 Q B -1.0301
348 G B -0.5095
349 V B 0.1735
350 N B -1.2508
351 N B -0.6208
352 A B -0.2941
353 E B -1.5516
354 K B -0.4427
355 F B -0.1401
356 D B -1.6884
357 Y B 0.0163
358 V B 0.0000
359 M B -0.0563
360 Q B -1.1405
361 F B 0.0000
362 L B 0.0000
363 N B -0.6496
364 K B -0.8223
365 M B 0.0000
366 A B 0.0000
367 G B 0.0000
368 N B -1.3932
369 E B -0.6288
370 Y B 0.5001
371 V B 0.3291
372 G B 0.0582
373 F B 0.6378
374 S B -0.1443
375 N B -1.2730
376 A B -0.2014
377 T B 0.0000
378 F B 0.0000
379 Q B -0.6589
380 S B -0.1426
381 E B 0.0000
382 R B -1.4154
383 E B -2.0465
384 S B -0.5073
385 G B -0.1228
386 D B -0.4503
387 R B -1.3311
388 N B 0.0000
389 F B 0.2695
390 A B 0.0000
391 I B 0.0000
392 G B 0.0000
393 Y B 0.2097
394 Y B 0.2120
395 L B 0.0000
396 K B -0.9987
397 E B -0.8395
398 K B -1.0476
399 K B -1.8873
400 C B 0.0000
401 F B 0.2143
402 P B 0.0000
403 E B -1.9064
404 G B -0.8076
405 T B -0.4388
406 D B -1.7930
407 M B 0.0000
408 V B 1.4377
409 G B 0.1727
410 I B 0.0000
411 L B 0.0000
412 D B -0.2935
413 F B 0.0000
414 Y B 0.0000
415 F B 0.0000
416 Q B -0.1365
417 L B 0.0000
418 C B 0.0000
419 S B 0.0000
420 I B 0.0000
421 E B -0.3246
422 V B 0.0000
423 T B 0.0000
424 C B 0.0000
425 E B -0.2540
426 S B 0.0000
427 A B 0.0000
428 S B 0.0000
429 V B 0.0000
430 M B 0.0000
431 A B 0.0000
432 A B 0.0000
433 T B 0.0000
434 L B 0.0000
435 A B 0.0000
436 N B 0.0000
437 G B 0.0000
438 G B 0.0000
439 F B 0.1493
440 C B 0.0000
441 P B 0.0000
442 I B 0.0000
443 T B -0.1005
444 G B -0.7954
445 E B -2.2392
446 R B -2.1217
447 V B 0.0000
448 L B 0.0000
449 S B -0.0917
450 P B -0.2208
451 E B -0.7749
452 A B 0.0000
453 V B 0.0000
454 R B -0.2259
455 N B 0.0000
456 T B 0.0000
457 L B 0.0000
458 S B -0.0223
459 L B 0.0000
460 M B 0.0000
461 H B 0.0000
462 S B -0.0297
463 C B 0.0779
464 G B 0.0000
465 M B 0.0000
466 Y B 0.1093
467 D B -1.6611
468 F B -0.0610
469 S B 0.0000
470 G B -0.1251
471 Q B -0.2557
472 F B 0.0000
473 A B 0.0077
474 F B 0.0000
475 H B -0.2910
476 V B 0.0000
477 G B 0.0000
478 L B 0.0000
479 P B 0.0000
480 A B 0.0000
481 K B 0.0000
482 S B 0.0000
483 G B 0.0000
484 V B 0.2105
485 A B 0.0000
486 G B 0.0000
487 G B 0.0000
488 I B 0.0000
489 L B 0.0000
490 L B 0.0000
491 V B 0.0000
492 V B 0.0000
493 P B -0.1042
494 N B -0.3606
495 V B 0.0000
496 M B 0.0000
497 G B 0.0000
498 M B 0.0000
499 M B 0.0000
500 C B 0.0000
501 W B 0.0000
502 S B 0.0000
503 P B 0.0000
504 P B 0.0000
505 L B 0.0000
506 D B -0.7196
507 K B -1.7260
508 M B -0.1045
509 G B -0.0550
510 N B 0.0000
511 S B 0.0000
512 V B 0.1700
513 K B 0.0000
514 G B 0.0000
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600 E D -0.3695

 

Laboratory of Theory of Biopolymers 2015